2-Thiophenecarbonitrile
TL;DR: 2-Thiophenecarbonitrile (CAS 1003-31-2) is a chemical compound with molecular formula C5H3NS and molecular weight 108.99862 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
thiophene-2-carbonitrile
Also Known As: 2-Thiophenecarbonitrile, Thiophene-2-carbonitrile, 2-Cyanothiophene, 2-thenonitrile, 2-Thenylcyanide
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H3NS |
| Molecular Weight | 108.99862 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.99862 Da |
| Heavy Atoms | 7 |
| Complexity | 102.0 |
| SMILES | C1=CSC(=C1)C#N |
| InChIKey | CUPOOAWTRIURFT-UHFFFAOYSA-N |
Packaging: Sample packaging: 25g / 100g / 500g / 1kg foil pouches. Special products may require customized packaging — confirmed per inquiry.
Lead Time: Most products are manufactured to order; in-stock items are limited. Lead time varies by product — typically weeks to months — and is confirmed per inquiry.
Product Description
Applications: 2-Thiophenecarbonitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, 2-Thiophenecarbonitrile (CAS 1003-31-2) has the molecular formula C5H3NS and a molecular weight of 109 g/mol. Synonyms include 2-Thiophenecarbonitrile and Thiophene-2-carbonitrile.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 2-Thiophenecarbonitrile
Property Insights of 2-Thiophenecarbonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thiophenecarbonitrile. With a topological polar surface area (TPSA) of 52.0 Ų, 2-Thiophenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenecarbonitrile has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Thiophenecarbonitrile?
The CAS number of 2-Thiophenecarbonitrile is 1003-31-2.
What is the molecular formula of 2-Thiophenecarbonitrile?
The molecular formula of 2-Thiophenecarbonitrile is C5H3NS.
What is the molecular weight of 2-Thiophenecarbonitrile?
The molecular weight of 2-Thiophenecarbonitrile is 108.99862 g/mol.
What are the applications of 2-Thiophenecarbonitrile?
2-Thiophenecarbonitrile is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 2-Thiophenecarbonitrile?
You can request a quote for 2-Thiophenecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Thiophenecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2-Thiophenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.